new BindingDB logo
myBDB logout

BDBM50005209 CHEMBL3103867

SMILES: N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F

InChI Key: InChIKey=XFUKFDJFEAQRRG-AWEZNQCLSA-N

Data: 6 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50005209   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM1 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM3 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PIM2 (unknown origin) using NH2-AGAGRSRHSSYPAGT-OH as substrate by Kinase-Glo assay


ACS Med Chem Lett 4: 1193-7 (2013)


Article DOI: 10.1021/ml400307j
BindingDB Entry DOI: 10.7270/Q23X8840
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<1n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Pim1 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo r...


Bioorg Med Chem Lett 26: 2328-32 (2016)


BindingDB Entry DOI: 10.7270/Q2WD42F0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Pim3 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo r...


Bioorg Med Chem Lett 26: 2328-32 (2016)


BindingDB Entry DOI: 10.7270/Q2WD42F0
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50005209
PNG
(CHEMBL3103867)
Show SMILES N[C@H]1CCCN(C1)c1ccncc1NC(=O)c1nc(ccc1N)-c1ccccc1F |r|
Show InChI InChI=1S/C22H23FN6O/c23-16-6-2-1-5-15(16)18-8-7-17(25)21(27-18)22(30)28-19-12-26-10-9-20(19)29-11-3-4-14(24)13-29/h1-2,5-10,12,14H,3-4,11,13,24-25H2,(H,28,30)/t14-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
<3n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of Pim2 (unknown origin) using BAD peptide preincubated for 15 mins followed by ATP addition measured after 60 to 100 mins by Kinase-Glo r...


Bioorg Med Chem Lett 26: 2328-32 (2016)


BindingDB Entry DOI: 10.7270/Q2WD42F0
More data for this
Ligand-Target Pair